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<h2>Option: region</h2>

<h4>Syntax</h4>

<p><code>-unitcell</code></p>


<h4>Description</h4>

<p>This option finds the minimum cartesian unit cell for the system. This option requires the lattice constant and the crystallographic orientation of the system to work properly.</p>

<p>Given the Miller indices <code>hkl</code> of each direction, the unit cell for a given crystallographic orientation is defined as:</p>

http://fr.wikipedia.org/wiki/Distance_interr%C3%A9ticulaire

<p><code>d<sub>hkl</sub> = a / sqrt(h<sup>2</sup>+k<sup>2</sup>+l<sup>2</sup>)</code></p>



<h4>Examples</h4>

<ul>
<li><code class="command">atomsk initial.cfg -orient 100 010 001 001 1-10 110 -unitcell unitcell.xyz</code>
<p>This will read the file <code>initial.cfg</code>, <a href="./option_orient.html">orient it</a> and then find the unit cell for the new orientation, which will be output to <code>unitcell.xyz</code>.</p></li>

<li><code class="command">atomsk --create fcc 3.8 Cu -orient 100 010 001 001 1-10 110 -unitcell unitcell.xyz</code>
<p>This will <a href="./mode_create.html">create</a> a unit cell of copper, <a href="./option_orient.html">orient it</a> and then find the unit cell for the new orientation, which will be output to <code>unitcell.xyz</code>.</p></li>

<li><code class="command">atomsk initial.cfg -properties sys.txt -unitcell final.xyz</code>
<p>This will use the <a href="./mode_properties.html">properties</a> (crystal orientation...) from the file <code>sys.txt</code> and use it to find the unit cell.</p></li>
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